REMARK  Name = BDB044380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.701  -1.976  -0.641  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.093  -1.041  -0.594  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1        0.142   0.180   0.019  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1       -0.546   0.909  -0.103  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.433  -1.117  -1.215  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -2.682  -0.667  -0.692  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.060  -0.027   0.598  0.00  0.00    +0.040 C 
ATOM      8  C   LIG    1       -4.574  -0.170   0.858  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -5.384   0.172  -0.410  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.896   0.363  -0.180  0.00  0.00    +0.169 C 
ATOM     11  O   LIG    1       -6.870   1.646  -0.854  0.00  0.00    -0.378 OA
ATOM     12  C   LIG    1       -5.079  -0.769  -1.597  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -5.423   1.669  -0.785  0.00  0.00    +0.169 C 
ATOM     14  C   LIG    1       -3.609  -0.977  -1.661  0.00  0.00    +0.041 A 
ATOM     15  N   LIG    1       -2.928  -1.577  -2.672  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -3.286  -1.956  -3.543  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -1.611  -1.667  -2.433  0.00  0.00    -0.169 NA
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.287   0.523   0.713  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.394  -0.243   0.981  0.00  0.00    +0.132 A 
ATOM     20  N   LIG    1        3.256   0.553   1.684  0.00  0.00    -0.265 N 
ATOM     21  N   LIG    1        2.758   1.785   1.934  0.00  0.00    -0.177 NA
ATOM     22  C   LIG    1        1.572   1.767   1.320  0.00  0.00    +0.157 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.560   0.167   2.205  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.637   0.288   1.157  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        6.121  -0.848   0.492  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        7.113  -0.728  -0.483  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.628   0.526  -0.805  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.150   1.663  -0.157  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.158   1.546   0.818  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  18
TORSDOF 4